SCHEMBL27499352

SCHEMBL27499352

CCCCOC(=O)C(C(=O)c1c(C)cc(C)cc1C)c1ccccc1.O=P

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MMP8 P22894 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7189184 0.96 TSHR (0.43) TSHRTDP1L3MBTL1MMP8ALDH1A1
SCHEMBL27484253 0.96 TSHR (0.46) TSHRTDP1L3MBTL1MMP8ALDH1A1
SCHEMBL27499046 0.95 TSHR (0.47) TSHRMMP8ALDH1A1CYP3A4MAPK1
SCHEMBL27519992 0.95 TSHR (0.47) TSHRMMP8ALDH1A1CYP3A4MAPK1
SCHEMBL7176995 0.93 TSHR (0.45) TSHRTDP1L3MBTL1MMP8ALDH1A1
SCHEMBL27484254 0.92 MMP8 (0.45) L3MBTL1MMP8ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7186690 0.92 TSHR (0.46) TSHRMMP8ALDH1A1CYP3A4MAPK1
SCHEMBL7182417 0.92 TSHR (0.46) TSHRMMP8ALDH1A1CYP3A4MAPK1
SCHEMBL7182655 0.92 TSHR (0.46) TSHRMMP8ALDH1A1CYP3A4MAPK1
SCHEMBL7184554 0.92 TSHR (0.46) TSHRMMP8ALDH1A1CYP3A4MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1200943-C Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2005-05-11 CN disclosed
CN-1308081-A Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2001-08-15 CN disclosed